2-[2-(2-methoxypropoxy)propoxy]propyl 3-[3-[3-[2-[2-(2-methoxypropoxy)propoxy]propoxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate

C29H51N3O13 — CID 134392268

About 2-[2-(2-methoxypropoxy)propoxy]propyl 3-[3-[3-[2-[2-(2-methoxypropoxy)propoxy]propoxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate

2-[2-(2-methoxypropoxy)propoxy]propyl 3-[3-[3-[2-[2-(2-methoxypropoxy)propoxy]propoxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate (PubChem CID 134392268) has the molecular formula C29H51N3O13 and a molecular weight of 649.74 g/mol. Its IUPAC name is 2-[2-(2-methoxypropoxy)propoxy]propyl 3-[3-[3-[2-[2-(2-methoxypropoxy)propoxy]propoxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate.

Molecular Properties

• Compound Name: 2-[2-(2-methoxypropoxy)propoxy]propyl 3-[3-[3-[2-[2-(2-methoxypropoxy)propoxy]propoxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate
• PubChem CID: 134392268
• Molecular Formula: C29H51N3O13
• Molecular Weight: 649.74 g/mol
• Exact Mass: 649.34
• IUPAC Name: 2-[2-(2-methoxypropoxy)propoxy]propyl 3-[3-[3-[2-[2-(2-methoxypropoxy)propoxy]propoxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate
• SMILES: COC(C)COC(C)COC(C)COC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OCC(C)OCC(C)OCC(C)OC)c1=O
• InChI: InChI=1S/C29H51N3O13/c1-19(38-7)13-40-21(3)15-42-23(5)17-44-25(33)9-11-31-27(35)30-28(36)32(29(31)37)12-10-26(34)45-18-24(6)43-16-22(4)41-14-20(2)39-8/h19-24H,9-18H2,1-8H3,(H,30,35,36)
• InChIKey: HYPRJSQFIGNAEL-UHFFFAOYSA-N
• XLogP: 0.26
• TPSA: 184.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.74
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxypropoxy)propoxy]propyl 3-[3-[3-[2-[2-(2-methoxypropoxy)propoxy]propoxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate?

The IUPAC name of 2-[2-(2-methoxypropoxy)propoxy]propyl 3-[3-[3-[2-[2-(2-methoxypropoxy)propoxy]propoxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate (CID 134392268) is 2-[2-(2-methoxypropoxy)propoxy]propyl 3-[3-[3-[2-[2-(2-methoxypropoxy)propoxy]propoxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate.

What is the SMILES notation for 2-[2-(2-methoxypropoxy)propoxy]propyl 3-[3-[3-[2-[2-(2-methoxypropoxy)propoxy]propoxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate?

The canonical SMILES for 2-[2-(2-methoxypropoxy)propoxy]propyl 3-[3-[3-[2-[2-(2-methoxypropoxy)propoxy]propoxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate is COC(C)COC(C)COC(C)COC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OCC(C)OCC(C)OCC(C)OC)c1=O.

What is the InChIKey of 2-[2-(2-methoxypropoxy)propoxy]propyl 3-[3-[3-[2-[2-(2-methoxypropoxy)propoxy]propoxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate?

The InChIKey is HYPRJSQFIGNAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H51N3O13/c1-19(38-7)13-40-21(3)15-42-23(5)17-44-25(33)9-11-31-27(35)30-28(36)32(29(31)37)12-10-26(34)45-18-24(6)43-16-22(4)41-14-20(2)39-8/h19-24H,9-18H2,1-8H3,(H,30,35,36).

What are the key properties of 2-[2-(2-methoxypropoxy)propoxy]propyl 3-[3-[3-[2-[2-(2-methoxypropoxy)propoxy]propoxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate?

2-[2-(2-methoxypropoxy)propoxy]propyl 3-[3-[3-[2-[2-(2-methoxypropoxy)propoxy]propoxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate has a molecular weight of 649.74 g/mol, XLogP of 0.26, 24 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-methoxypropoxy)propoxy]propyl 3-[3-[3-[2-[2-(2-methoxypropoxy)propoxy]propoxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate is sourced from PubChem (CID 134392268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).